4-ethyl-5-iminoimidazolidin-2-one

C5H9N3O — CID 138388729

IUPAC4-ethyl-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1CC
InChIInChI=1S/C5H9N3O/c1-2-3-4(6)8-5(9)7-3/h3H,2H2,1H3,(H3,6,7,8,9)
InChIKeyJEIDQYVWXNHHQR-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.06
Rot. Bonds1

About 4-ethyl-5-iminoimidazolidin-2-one

4-ethyl-5-iminoimidazolidin-2-one (PubChem CID 138388729) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-ethyl-5-iminoimidazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-5-iminoimidazolidin-2-one
PubChem CID138388729
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-ethyl-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1CC
InChIInChI=1S/C5H9N3O/c1-2-3-4(6)8-5(9)7-3/h3H,2H2,1H3,(H3,6,7,8,9)
InChIKeyJEIDQYVWXNHHQR-UHFFFAOYSA-N
XLogP0.06
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-iminoimidazolidin-2-one?
The IUPAC name of 4-ethyl-5-iminoimidazolidin-2-one (CID 138388729) is 4-ethyl-5-iminoimidazolidin-2-one.
What is the SMILES notation for 4-ethyl-5-iminoimidazolidin-2-one?
The canonical SMILES for 4-ethyl-5-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)NC1CC.
What is the InChIKey of 4-ethyl-5-iminoimidazolidin-2-one?
The InChIKey is JEIDQYVWXNHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-3-4(6)8-5(9)7-3/h3H,2H2,1H3,(H3,6,7,8,9).
What are the key properties of 4-ethyl-5-iminoimidazolidin-2-one?
4-ethyl-5-iminoimidazolidin-2-one has a molecular weight of 127.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-iminoimidazolidin-2-one is sourced from PubChem (CID 138388729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).